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CHEBI:168554 - Stoloniferone H

ChEBI IDCHEBI:168554
ChEBI NameStoloniferone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C
InChIInChI=1S/C28H44O4/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24(31)28(32)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-10,16-22,24-25,29,31-32H,11-15H2,1-6H3/b10-9+/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28-/m0/s1
InChIKeyITMUZJMPSMWNMS-VXFXNZRHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone H (CHEBI:168554) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(5R,6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6,11-trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-1-one
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20565037ChemSpider